4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
TL;DR: 4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one (CAS 897030-44-3) is a chemical compound with molecular formula C17H13ClN2O and molecular weight 296.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-chlorophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
Also Known As: BAS 00221263, A0769/0035957, 1-Phenyl-3-methyl-4-(4-chlorobenzylidene)-2-pyrazoline-5-one, 4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one, 2-Phenyl-4-(p-chlorobenzylidene)-5-methyl-2H-pyrazole-3(4H)-one
| Molecular Formula | C17H13ClN2O |
|---|---|
| Molecular Weight | 296.07 g/mol |
| LogP | 4.1461 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.07166 |
| Heavy Atoms | 21 |
| Complexity | 733.14526 |
Chemical Identifiers
| CAS Number | 897030-44-3 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C/C2=CC=C(C=C2)Cl)C3=CC=CC=C3 |
Product Overview
4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one (CAS 897030-44-3), with molecular formula C17H13ClN2O and molecular weight 296.07 g/mol. IUPAC: (4E)-4-[(4-chlorophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
Property Insights of 4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
The XLogP value of 4.1461 indicates that 4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, 4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one?
The CAS number of 4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one is 897030-44-3.
What is the molecular formula of 4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one?
The molecular formula of 4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one is C17H13ClN2O.
What is the molecular weight of 4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one?
The molecular weight of 4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one is 296.07 g/mol.
Where can I buy 4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one?
You can request a quote for 4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.